DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:59:39 UTC
Update Date	2025-03-21 18:06:08 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00061365
Frequency	50.8
Structure
Chemical Formula	C₁₂H₂₂N₂O₄
Molecular Mass	258.158
SMILES	CC(C)CC(N=C(O)C(CC(C)C)N=O)C(=O)O
InChI Key	SDHIUTIPCUJGFN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	leucine and derivatives
Geometric Descriptor	aliphatic acyclic compounds
Alternative Parents	alpha amino acids c-nitroso compounds carbonyl compounds carboximidic acids carboxylic acids hydrocarbon derivatives methyl-branched fatty acids monocarboxylic acids and derivatives organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds short-chain hydroxy acids and derivatives
Substituents	fatty acyl aliphatic acyclic compound carboximidic acid carbonyl group carboxylic acid short-chain hydroxy acid fatty acid propargyl-type 1,3-dipolar organic compound organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound organic nitroso compound methyl-branched fatty acid organic 1,3-dipolar compound branched fatty acid monocarboxylic acid or derivatives organic oxygen compound c-nitroso compound hydrocarbon derivative organic nitrogen compound organooxygen compound

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